3D4P
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![BU of 3d4p by Molmil](/molmil-images/mine/3d4p) | |
3EWC
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![BU of 3ewc by Molmil](/molmil-images/mine/3ewc) | Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with MT-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | Deposit date: | 2008-10-14 | Release date: | 2009-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
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3EWD
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![BU of 3ewd by Molmil](/molmil-images/mine/3ewd) | Crystal structure of adenosine deaminase mutant (delta Asp172) from Plasmodium vivax in complex with MT-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | Deposit date: | 2008-10-14 | Release date: | 2009-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
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1Y6R
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![BU of 1y6r by Molmil](/molmil-images/mine/1y6r) | Crystal structure of MTA/AdoHcy nucleosidase complexed with MT-ImmA. | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, MTA/SAH nucleosidase | Authors: | Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L. | Deposit date: | 2004-12-06 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase. J.Biol.Chem., 280, 2005
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5EUB
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![BU of 5eub by Molmil](/molmil-images/mine/5eub) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol, CHLORIDE ION, GLYCEROL, ... | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2015-11-18 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate To be published
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1Y6Q
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![BU of 1y6q by Molmil](/molmil-images/mine/1y6q) | Cyrstal structure of MTA/AdoHcy nucleosidase complexed with MT-DADMe-ImmA | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, MTA/SAH nucleosidase | Authors: | Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L. | Deposit date: | 2004-12-06 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase. J.Biol.Chem., 280, 2005
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1MAS
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![BU of 1mas by Molmil](/molmil-images/mine/1mas) | PURINE NUCLEOSIDE HYDROLASE | Descriptor: | INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE, POTASSIUM ION | Authors: | Degano, M, Gopaul, D.N, Scapin, G, Schramm, V.L, Sacchettini, J.C. | Deposit date: | 1995-12-18 | Release date: | 1996-08-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of the inosine-uridine nucleoside N-ribohydrolase from Crithidia fasciculata. Biochemistry, 35, 1996
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2ISC
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![BU of 2isc by Molmil](/molmil-images/mine/2isc) | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A | Descriptor: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | Deposit date: | 2006-10-17 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues Biochemistry, 46, 2007
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4WKB
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![BU of 4wkb by Molmil](/molmil-images/mine/4wkb) | Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry, 54, 2015
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4WKN
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![BU of 4wkn by Molmil](/molmil-images/mine/4wkn) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, Aminodeoxyfutalosine nucleosidase | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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4WKO
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![BU of 4wko by Molmil](/molmil-images/mine/4wko) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hydroxybutylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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4WKC
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![BU of 4wkc by Molmil](/molmil-images/mine/4wkc) | Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TETRAETHYLENE GLYCOL | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry, 54, 2015
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4WKP
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![BU of 4wkp by Molmil](/molmil-images/mine/4wkp) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, SULFATE ION | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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2MAS
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![BU of 2mas by Molmil](/molmil-images/mine/2mas) | PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR | Descriptor: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE | Authors: | Degano, M, Schramm, V.L, Sacchettini, J.C. | Deposit date: | 1996-10-17 | Release date: | 1997-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor. Biochemistry, 37, 1998
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6WS1
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![BU of 6ws1 by Molmil](/molmil-images/mine/6ws1) | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH) | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | Authors: | Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2020-04-30 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Transition-State Analogues of PhenylethanolamineN-Methyltransferase. J.Am.Chem.Soc., 142, 2020
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7TUX
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![BU of 7tux by Molmil](/molmil-images/mine/7tux) | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, ... | Authors: | Harijan, R.K, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2022-02-03 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Inhibition and Mechanism of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase. Acs Chem.Biol., 17, 2022
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7TWU
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![BU of 7twu by Molmil](/molmil-images/mine/7twu) | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid and AdoHcy (SAH) | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2022-02-07 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase. Biochemistry, 62, 2023
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7TX2
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![BU of 7tx2 by Molmil](/molmil-images/mine/7tx2) | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, Phenylethanolamine N-methyltransferase | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2022-02-07 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase. Biochemistry, 62, 2023
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4YNB
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![BU of 4ynb by Molmil](/molmil-images/mine/4ynb) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2015-03-09 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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4YO8
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![BU of 4yo8 by Molmil](/molmil-images/mine/4yo8) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol | Descriptor: | Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2015-03-11 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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4YML
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![BU of 4yml by Molmil](/molmil-images/mine/4yml) | Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A | Descriptor: | (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, PHOSPHATE ION | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | Deposit date: | 2015-03-06 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Tight binding enantiomers of pre-clinical drug candidates. Bioorg.Med.Chem., 23, 2015
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4X24
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![BU of 4x24 by Molmil](/molmil-images/mine/4x24) | Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TRIETHYLENE GLYCOL | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-11-25 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry, 54, 2015
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5ETJ
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![BU of 5etj by Molmil](/molmil-images/mine/5etj) | Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human complexed with DADMe-ImmG and phosphate | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Cameron, S.A, Suarez, J, Schramm, V.L, Almo, S.C. | Deposit date: | 2015-11-17 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics. J.Am.Chem.Soc., 138, 2016
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7RXV
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![BU of 7rxv by Molmil](/molmil-images/mine/7rxv) | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine, Malonate (MLA) and MgF3 | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, GLYCEROL, ... | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | Deposit date: | 2021-08-23 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution. J.Am.Chem.Soc., 143, 2021
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7RXW
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![BU of 7rxw by Molmil](/molmil-images/mine/7rxw) | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP) | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, ... | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | Deposit date: | 2021-08-23 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution. J.Am.Chem.Soc., 143, 2021
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